SCHEMBL9061373

SCHEMBL9061373

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.34
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9061356 1.00 TRPV4 (0.34) TRPV4MAOAMAOBTLR4CHRM2
SCHEMBL9061364 1.00 TRPV4 (0.34) TRPV4MAOAMAOBTLR4CHRM2
SCHEMBL9630101 0.96 TRPV4 (0.37) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9630094 0.96 TRPV4 (0.37) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9630120 0.92 CYP1A2 (0.33) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9630124 0.92 CYP1A2 (0.33) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9631070 0.92 TRPV4 (0.34) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9631076 0.92 TRPV4 (0.34) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9630110 0.91 TRPV4 (0.32) TRPV4MAOAMAOBCHRM2CHRM1
SCHEMBL9630105 0.91 TRPV4 (0.32) TRPV4MAOAMAOBCHRM2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1131144-A — — None — — JP disclosed
EP-0492222-B1 Liquid crystal display device MERCK PATENT GMBH (DE) 1996-11-13 — — EP disclosed
EP-0492222-A2 Liquid crystal display device MERCK PATENT GmbH (DE) 1992-07-01 — — EP disclosed
EP-0316715-B1 CYCLOHEXANE DERIVATIVES Chisso Corporation (JP) 1992-06-03 — — EP disclosed
US-4853152-A Cyclohexane derivative CHISSO CORPORATION (JP) 1989-08-01 — — US disclosed
JP-H01131144-A CYCLOHEXANE DERIVATIVE CHISSO CORP 1989-05-24 — — JP disclosed
EP-0316715-A2 Cyclohexane derivatives Chisso Corporation (JP) 1989-05-24 — — EP disclosed
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